Compound Detail
CHEMBL5209058
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Basic Information
| ChEMBL ID | CHEMBL5209058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCCMWNZEQUNHDX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.4
MW (Da)
3.42
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3879842 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 63.1 | nM | 7.2 | Inhibition of rat NHE3 expressed in opossum kidney cells assessed as reduction i... | 35859876 |
| Sodium/hydrogen exchanger 3 | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of human NHE3 expressed in opossum kidney cells assessed as reduction... | 35859876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35859876 | 10.1021/acsmedchemlett.2c00037 | Sodium/hydrogen exchanger 3 | 2 |
Data from ChEMBL 36 via Core Engine